《光谱学
研究文章

傅立叶变换红外光谱、激光拉曼、紫外可见和核磁共振光谱的研究Nateglinide抗糖尿病的分子

表3

nateglinide的分子几何参数优化。
债券的长度(A) x射线(27] 值 债券的长度(A) x射线(27] 值 键角(°) 值 x射线(27] 键角(°) 值 x射线(27]
C11-C13 1.352 1.398 C24-C25 1.495 1.530 C11-C13-H14 120.102 119.116 C25-C38-C35 111.408 110.700
C13-C15 1.413 1.395 C25-C38 1.537 1.546 C15-C13-H14 119.705 119.160 C38-C35-C33 112.186 112.617
C9-C11 1.360 1.396 C35-C38 1.524 1.537 C9-C11-H12 120.254 120.606 C35-C33-C30 109.752 110.312
C7-C9 1.404 1.398 C33-C35 1.527 1.542 C13-C11-H12 120.199 120.467 C33-C30-C27 112.163 112.776
C7-C17 1.374 1.401 C33-C30 1.522 1.542 C13-C15-H16 119.437 120.306 H28-C27-H29 107.285 108.188
C15-C17 1.392 1.403 C27-C30 1.527 1.539 C11-C9-H10 120.189 119.550 C27-C25-H26 108.092 106.800
C17-C18 1.524 1.514 C25-C27 1.532 1.539 C17-C15-H16 119.745 120.288 H39-C38-H40 107.036 108.165
C18-C21 1.526 1.558 C33-C41 1.542 1.554 C7-C9-H10 119.774 119.650 C35-C33-H34 106.915 106.334
C21-C23 1.522 1.525 C41-C47 1.493 1.539 C17-C7-H8 119.457 119.513 H37-C35-H36 106.559 107.896
C23 = O1群 1.231 1.213 C41-C43 1.543 1.539 C17-C18-H20 110.141 108.536 H31-C30-H32 106.523 107.730
C23 = O2 1.308 1.353 C24 = O4 1.252 1.230 C17-C18-H19 109.619 108.510 C33-C41-H42 105.779 106.849
O2-H3 0.909 0.973 N5-H6 0.927 1.010 C21-C18-H19 108.662 108.488 H44-C43-H45 107.793 109.495
C21-N5 1.460 1.447 C24 =它们 1.332 1.372 C21-C18-H20 107.531 108.534 C41-C43-H46 110.750 109.459
二面角角度(°) C23-C21-H22 108.860 107.886 H42-C41-C47 107.149 106.767
H10-C9-C7-C17 179.820 179.844 N5-C21-H22 106.696 107.947 C41-C47-H50 111.618 109.518
H10-C9-C11-C13 −179.816 178.624 C24-N5-H6 119.107 121.393 H49-C47-H48 107.337 109.401
H16-C15-C13-C11 −179.772 178.229 C23-O2-H3 107.493 106.777 C25-C24-O4 120.642 121.732
C9-C7-C17-C18 −179.489 −179.882 O4-C24-N5 121.982 119.602 C24-C25-C27 117.171 116.594
C21-C23-O2-H3 −177.502 178.064 O1-C23-O2 122.883 124.478 C24-C25-C38 109.582 109.451
C21-N5-C24-C25 −174.757 −170.842 N5-C24-C25 117.375 118.654 C25-C27-C30 110.933 109.665
C25-C38-C35-H36 −65.703 −65.679
(27)l . Tessler戈德堡。bis (nateglinide)水合氢氯,其独特的自组装成扩展聚合物阵列通过地⋯O, h⋯Cl,地⋯Cl氢键。Acta结晶。C61 (2005) 738 - 740。